[ViewVC] Diff of: group/branches/no-template-branch/OOPSE/libmdtools/NPTi.cpp

Comparing trunk/OOPSE/libmdtools/NPTi.cpp (file contents):
Revision 778 by mmeineke, Fri Sep 19 20:00:27 2003 UTC vs.
Revision 787 by mmeineke, Thu Sep 25 19:27:15 2003 UTC

#	Line 104 \| Line 104 \| template<typename T> double NPTi<T>::getConservedQuant
104		template<typename T> double NPTi<T>::getConservedQuantity(void){
105
106		double conservedQuantity;
107	–	double Three_NkBT;
107		double Energy;
108		double thermostat_kinetic;
109		double thermostat_potential;
110		double barostat_kinetic;
111		double barostat_potential;
112	<	double tb2;
114	<	double eta2;
115	<
112	>
113		Energy = tStats->getTotalE();
114
115	<	thermostat_kinetic = fkBT* tauThermostat * tauThermostat * chi * chi /
115	>	thermostat_kinetic = fkBT* tt2 * chi * chi /
116		(2.0 * eConvert);
117
118		thermostat_potential = fkBT* integralOfChidt / eConvert;
119
120
121	<	barostat_kinetic = 3.0 * NkBT * tauBarostat * tauBarostat * eta * eta /
121	>	barostat_kinetic = 3.0 * NkBT * tb2 * eta * eta /
122		(2.0 * eConvert);
123
124		barostat_potential = (targetPressure * tStats->getVolume() / p_convert) /

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